1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea

C24H22N4O — CID 67337458

About 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea

1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea (PubChem CID 67337458) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea.

Molecular Properties

• Compound Name: 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea
• PubChem CID: 67337458
• Molecular Formula: C24H22N4O
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.18
• IUPAC Name: 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea
• SMILES: O=C(Nc1ccccc1)Nc1ccc(C=C2CCCN=C2c2cccnc2)cc1
• InChI: InChI=1S/C24H22N4O/c29-24(27-21-8-2-1-3-9-21)28-22-12-10-18(11-13-22)16-19-6-5-15-26-23(19)20-7-4-14-25-17-20/h1-4,7-14,16-17H,5-6,15H2,(H2,27,28,29)
• InChIKey: GJSPNMCTVYBFBL-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 66.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea?

The IUPAC name of 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea (CID 67337458) is 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea.

What is the SMILES notation for 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea?

The canonical SMILES for 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(C=C2CCCN=C2c2cccnc2)cc1.

What is the InChIKey of 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea?

The InChIKey is GJSPNMCTVYBFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(27-21-8-2-1-3-9-21)28-22-12-10-18(11-13-22)16-19-6-5-15-26-23(19)20-7-4-14-25-17-20/h1-4,7-14,16-17H,5-6,15H2,(H2,27,28,29).

What are the key properties of 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea?

1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea has a molecular weight of 382.47 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea is sourced from PubChem (CID 67337458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).